tert-butyl N-[(2R)-1-(octadecylamino)-3-(octadecyldisulfanyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-(octadecylamino)-3-(octadecyldisulfanyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(octadecylamino)-1-[(octadecyldisulfanyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-(octadecylamino)-3-(octadecyldisulfanyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(octadecylamino)-3-(octadecyldisulfanyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-keto-2-(stearylamino)-1-[(stearyldisulfanyl)methyl]ethyl]carbamic acid tert-butyl ester Formula: C44H88N2O3S2 MolecularWeight: 757.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CSSCCCCCCCCCCCCCCCCCC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)[C@H](CSSCCCCCCCCCCCCCCCCCC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H88N2O3S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45-42(47)41(46-43(48)49-44(3,4)5)40-51-50-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3,(H,45,47)(H,46,48)/t41-/m0/s1